1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea

C17H23N5OS — CID 138028016

IUPAC1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea
SMILESCc1ccc(NC(=O)NCCc2nc3c(s2)CCC3)c(N(C)C)n1
InChIInChI=1S/C17H23N5OS/c1-11-7-8-13(16(19-11)22(2)3)21-17(23)18-10-9-15-20-12-5-4-6-14(12)24-15/h7-8H,4-6,9-10H2,1-3H3,(H2,18,21,23)
InChIKeyQWEPCJACPUCFSZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea (PubChem CID 138028016) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea
PubChem CID138028016
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea
SMILESCc1ccc(NC(=O)NCCc2nc3c(s2)CCC3)c(N(C)C)n1
InChIInChI=1S/C17H23N5OS/c1-11-7-8-13(16(19-11)22(2)3)21-17(23)18-10-9-15-20-12-5-4-6-14(12)24-15/h7-8H,4-6,9-10H2,1-3H3,(H2,18,21,23)
InChIKeyQWEPCJACPUCFSZ-UHFFFAOYSA-N
XLogP2.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 118764908
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-methyltriazol-4-yl)urea
CID 138025249
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 72876865
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-ethoxypropanamide
CID 119066686
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 110467175
(2R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 126436910
1-(1-propyltriazol-4-yl)-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 72872016
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 118779170
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)urea
CID 138054203
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 75437346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea?
The IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea (CID 138028016) is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea?
The canonical SMILES for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea is Cc1ccc(NC(=O)NCCc2nc3c(s2)CCC3)c(N(C)C)n1.
What is the InChIKey of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea?
The InChIKey is QWEPCJACPUCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-7-8-13(16(19-11)22(2)3)21-17(23)18-10-9-15-20-12-5-4-6-14(12)24-15/h7-8H,4-6,9-10H2,1-3H3,(H2,18,21,23).
What are the key properties of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea?
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea has a molecular weight of 345.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-[2-(dimethylamino)-6-methyl-3-pyridinyl]urea is sourced from PubChem (CID 138028016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).