(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone

C18H28N6OS — CID 72918627

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCCC(c2nccn2CCCN(C)C)C1
InChIInChI=1S/C18H28N6OS/c1-13-15(26-18(19)21-13)17(25)24-9-4-6-14(12-24)16-20-7-11-23(16)10-5-8-22(2)3/h7,11,14H,4-6,8-10,12H2,1-3H3,(H2,19,21)
InChIKeyHFNMHQMIQONYDU-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.20
Rot. Bonds6

About (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72918627) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72918627
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCCC(c2nccn2CCCN(C)C)C1
InChIInChI=1S/C18H28N6OS/c1-13-15(26-18(19)21-13)17(25)24-9-4-6-14(12-24)16-20-7-11-23(16)10-5-8-22(2)3/h7,11,14H,4-6,8-10,12H2,1-3H3,(H2,19,21)
InChIKeyHFNMHQMIQONYDU-UHFFFAOYSA-N
XLogP2.20
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,4-trimethyl-2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxamide
CID 6465558
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47046086
N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47188444
N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47188445
2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 48983117
2-ethyl-4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385088
(2,4-Dimethyl-1,3-thiazol-5-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53603078
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53609277
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
{1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanone
CID 70772556
(2-methyl-1H-imidazol-5-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72122403
1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72868449

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 72918627) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone is Cc1nc(N)sc1C(=O)N1CCCC(c2nccn2CCCN(C)C)C1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is HFNMHQMIQONYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-13-15(26-18(19)21-13)17(25)24-9-4-6-14(12-24)16-20-7-11-23(16)10-5-8-22(2)3/h7,11,14H,4-6,8-10,12H2,1-3H3,(H2,19,21).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 376.53 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72918627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).