1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea

C13H17N5O2S — CID 58712504

IUPAC1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea
SMILESCNC(=O)Nc1c(Nc2ccc(C(C)C)nc2)s[nH]c1=O
InChIInChI=1S/C13H17N5O2S/c1-7(2)9-5-4-8(6-15-9)16-12-10(11(19)18-21-12)17-13(20)14-3/h4-7,16H,1-3H3,(H,18,19)(H2,14,17,20)
InChIKeyCEFFGFCJMCBFCO-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.45
Rot. Bonds4

About 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea

1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea (PubChem CID 58712504) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea
PubChem CID58712504
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea
SMILESCNC(=O)Nc1c(Nc2ccc(C(C)C)nc2)s[nH]c1=O
InChIInChI=1S/C13H17N5O2S/c1-7(2)9-5-4-8(6-15-9)16-12-10(11(19)18-21-12)17-13(20)14-3/h4-7,16H,1-3H3,(H,18,19)(H2,14,17,20)
InChIKeyCEFFGFCJMCBFCO-UHFFFAOYSA-N
XLogP2.45
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea with MolForge

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Related Compounds

1-[5-(4-iodoanilino)-3-oxo-1,2-thiazol-4-yl]-3-methylurea
CID 58712573
1-[5-[(5-tert-butyl-3-pyridinyl)amino]-3-oxo-1,2-thiazol-4-yl]-3-methylurea
CID 58712371
1-[5-[[4,6-bis(trifluoromethyl)-2-pyridinyl]amino]-3-oxo-1,2-thiazol-4-yl]-3-methylurea
CID 58712575
N,N-dimethyl-3-oxo-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxamide
CID 58712236
N-ethyl-6-propan-2-ylpyridin-3-amine
CID 20605692
1-[4-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]-3-methylurea
CID 70612463
N-[6-(1-hydroxyethyl)-3-pyridinyl]formamide
CID 166159049
1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea
CID 167971552
(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide
CID 138011190
5-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797967
1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55581069
1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 43790812

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea?
The IUPAC name of 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea (CID 58712504) is 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea.
What is the SMILES notation for 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea?
The canonical SMILES for 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea is CNC(=O)Nc1c(Nc2ccc(C(C)C)nc2)s[nH]c1=O.
What is the InChIKey of 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea?
The InChIKey is CEFFGFCJMCBFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-7(2)9-5-4-8(6-15-9)16-12-10(11(19)18-21-12)17-13(20)14-3/h4-7,16H,1-3H3,(H,18,19)(H2,14,17,20).
What are the key properties of 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea?
1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea has a molecular weight of 307.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-oxo-5-[(6-propan-2-yl-3-pyridinyl)amino]-1,2-thiazol-4-yl]urea is sourced from PubChem (CID 58712504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).