N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H28N4S — CID 62780311

IUPACN-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCN(CC3CC3)CC2)sc1CNC(C)C
InChIInChI=1S/C16H28N4S/c1-12(2)17-10-15-13(3)18-16(21-15)20-8-6-19(7-9-20)11-14-4-5-14/h12,14,17H,4-11H2,1-3H3
InChIKeyWUUJYKYULCYFLL-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.48
Rot. Bonds6

About N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62780311) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62780311
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC NameN-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCN(CC3CC3)CC2)sc1CNC(C)C
InChIInChI=1S/C16H28N4S/c1-12(2)17-10-15-13(3)18-16(21-15)20-8-6-19(7-9-20)11-14-4-5-14/h12,14,17H,4-11H2,1-3H3
InChIKeyWUUJYKYULCYFLL-UHFFFAOYSA-N
XLogP2.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686
N-[[4-methyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114540531
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941
1-[4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63915838
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767636
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62767480
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine
CID 62767701
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767813

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62780311) is N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(N2CCN(CC3CC3)CC2)sc1CNC(C)C.
What is the InChIKey of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is WUUJYKYULCYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-12(2)17-10-15-13(3)18-16(21-15)20-8-6-19(7-9-20)11-14-4-5-14/h12,14,17H,4-11H2,1-3H3.
What are the key properties of N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 308.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62780311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).