N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide

C18H27N5OS2 — CID 102561667

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
SMILESCCc1csc(NC2CCN(C(C)C(=O)Nc3nc(C)c(C)s3)CC2)n1
InChIInChI=1S/C18H27N5OS2/c1-5-14-10-25-17(20-14)21-15-6-8-23(9-7-15)12(3)16(24)22-18-19-11(2)13(4)26-18/h10,12,15H,5-9H2,1-4H3,(H,20,21)(H,19,22,24)
InChIKeyQKCRKBSJQVGWLH-UHFFFAOYSA-N
MW393.58 g/mol
LogP3.68
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide (PubChem CID 102561667) has the molecular formula C18H27N5OS2 and a molecular weight of 393.58 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
PubChem CID102561667
Molecular FormulaC18H27N5OS2
Molecular Weight393.58 g/mol
Exact Mass393.17
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
SMILESCCc1csc(NC2CCN(C(C)C(=O)Nc3nc(C)c(C)s3)CC2)n1
InChIInChI=1S/C18H27N5OS2/c1-5-14-10-25-17(20-14)21-15-6-8-23(9-7-15)12(3)16(24)22-18-19-11(2)13(4)26-18/h10,12,15H,5-9H2,1-4H3,(H,20,21)(H,19,22,24)
InChIKeyQKCRKBSJQVGWLH-UHFFFAOYSA-N
XLogP3.68
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
CID 99785660
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
CID 100611911
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 166181261
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 34180167
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 55591159
tert-butyl N-[2-[1-[(2R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 97254107
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 51077604
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 55591308
2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309513
4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 62962634
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 55841176

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide (CID 102561667) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide is CCc1csc(NC2CCN(C(C)C(=O)Nc3nc(C)c(C)s3)CC2)n1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
The InChIKey is QKCRKBSJQVGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS2/c1-5-14-10-25-17(20-14)21-15-6-8-23(9-7-15)12(3)16(24)22-18-19-11(2)13(4)26-18/h10,12,15H,5-9H2,1-4H3,(H,20,21)(H,19,22,24).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide has a molecular weight of 393.58 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 102561667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).