N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

C16H30N4S — CID 62888934

IUPACN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCCC2CN(C)C)sc1CNCC
InChIInChI=1S/C16H30N4S/c1-5-8-14-15(11-17-6-2)21-16(18-14)20-10-7-9-13(20)12-19(3)4/h13,17H,5-12H2,1-4H3
InChIKeyUCDCZIDWOPNLPY-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.74
Rot. Bonds8

About N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62888934) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62888934
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCCC2CN(C)C)sc1CNCC
InChIInChI=1S/C16H30N4S/c1-5-8-14-15(11-17-6-2)21-16(18-14)20-10-7-9-13(20)12-19(3)4/h13,17H,5-12H2,1-4H3
InChIKeyUCDCZIDWOPNLPY-UHFFFAOYSA-N
XLogP2.74
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62766160
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62888931
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[2-(2,3-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767317
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65322355
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395687
1-[5-(ethylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464775
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 62888934) is N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(N2CCCC2CN(C)C)sc1CNCC.
What is the InChIKey of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is UCDCZIDWOPNLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-8-14-15(11-17-6-2)21-16(18-14)20-10-7-9-13(20)12-19(3)4/h13,17H,5-12H2,1-4H3.
What are the key properties of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 310.51 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62888934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).