N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen

C19H37N5S — CID 162382985

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen
SMILESCCN1CCCC1CNc1nc(CN2CCN(CC(C)C)CC2)cs1.[H][H]
InChIInChI=1S/C19H35N5S.H2/c1-4-24-7-5-6-18(24)12-20-19-21-17(15-25-19)14-23-10-8-22(9-11-23)13-16(2)3;/h15-16,18H,4-14H2,1-3H3,(H,20,21);1H
InChIKeyMCENHRHUQDWVIC-UHFFFAOYSA-N
MW367.61 g/mol
LogP3.06
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen (PubChem CID 162382985) has the molecular formula C19H37N5S and a molecular weight of 367.61 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen
PubChem CID162382985
Molecular FormulaC19H37N5S
Molecular Weight367.61 g/mol
Exact Mass367.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen
SMILESCCN1CCCC1CNc1nc(CN2CCN(CC(C)C)CC2)cs1.[H][H]
InChIInChI=1S/C19H35N5S.H2/c1-4-24-7-5-6-18(24)12-20-19-21-17(15-25-19)14-23-10-8-22(9-11-23)13-16(2)3;/h15-16,18H,4-14H2,1-3H3,(H,20,21);1H
InChIKeyMCENHRHUQDWVIC-UHFFFAOYSA-N
XLogP3.06
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-methylbutan-1-one
CID 162383034
N-[(1-aminopyrrolidin-2-yl)methyl]-4-[(4-but-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;ethane
CID 162383038
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 106027180
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622627
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111837220
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088635
1-[(2R,5R)-4-[[2-[[(2S)-1-tert-butylpyrrolidin-2-yl]methylamino]-1,3-thiazol-4-yl]methyl]-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 170005894
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen (CID 162382985) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen is CCN1CCCC1CNc1nc(CN2CCN(CC(C)C)CC2)cs1.[H][H].
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen?
The InChIKey is MCENHRHUQDWVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5S.H2/c1-4-24-7-5-6-18(24)12-20-19-21-17(15-25-19)14-23-10-8-22(9-11-23)13-16(2)3;/h15-16,18H,4-14H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen has a molecular weight of 367.61 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen is sourced from PubChem (CID 162382985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).