1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea

C19H28N6OS — CID 164636198

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCCc1nc([C@H](C)NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cs1
InChIInChI=1S/C19H28N6OS/c1-5-18-24-16(11-27-18)13(3)21-19(26)23-15-6-8-25(9-7-15)17-10-12(2)20-14(4)22-17/h10-11,13,15H,5-9H2,1-4H3,(H2,21,23,26)/t13-/m0/s1
InChIKeyBSQHUCLJPYVDGE-ZDUSSCGKSA-N
MW388.54 g/mol
LogP3.14
Rot. Bonds5

About 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 164636198) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID164636198
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCCc1nc([C@H](C)NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cs1
InChIInChI=1S/C19H28N6OS/c1-5-18-24-16(11-27-18)13(3)21-19(26)23-15-6-8-25(9-7-15)17-10-12(2)20-14(4)22-17/h10-11,13,15H,5-9H2,1-4H3,(H2,21,23,26)/t13-/m0/s1
InChIKeyBSQHUCLJPYVDGE-ZDUSSCGKSA-N
XLogP3.14
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827576
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827799
1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 45831052
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
1-(4-Cyclohexylpiperazin-1-yl)-2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)ethanone
CID 49669831
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084056
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 53502407
2-N,4-N,4-N,6-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 53539526
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
2-methyl-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-4-carboxamide
CID 91631432
N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113761

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea (CID 164636198) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea is CCc1nc([C@H](C)NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cs1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is BSQHUCLJPYVDGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-5-18-24-16(11-27-18)13(3)21-19(26)23-15-6-8-25(9-7-15)17-10-12(2)20-14(4)22-17/h10-11,13,15H,5-9H2,1-4H3,(H2,21,23,26)/t13-/m0/s1.
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 388.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 164636198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).