[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C17H21N5OS — CID 126889978

IUPAC[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C17H21N5OS/c1-12-16(24-11-20-12)17(23)21-8-5-14(6-9-21)22(13-2-3-13)15-4-7-18-10-19-15/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyYYYUQBSHPDGINN-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.52
Rot. Bonds4

About [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 126889978) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID126889978
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C17H21N5OS/c1-12-16(24-11-20-12)17(23)21-8-5-14(6-9-21)22(13-2-3-13)15-4-7-18-10-19-15/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyYYYUQBSHPDGINN-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889980
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
CID 171328772
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 126889953
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103727188
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 80553761
(4-methyl-1,3-thiazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55167631
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
(4-methyl-1,3-thiazol-5-yl)-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632899
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 126889978) is [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC(N(c2ccncn2)C2CC2)CC1.
What is the InChIKey of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is YYYUQBSHPDGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-16(24-11-20-12)17(23)21-8-5-14(6-9-21)22(13-2-3-13)15-4-7-18-10-19-15/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3.
What are the key properties of [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 343.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 126889978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).