cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone

C18H23N5OS — CID 175658735

IUPACcyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cnc(Nc2ccnc(CC3CCCN(C(=O)C4CC4)C3)n2)s1
InChIInChI=1S/C18H23N5OS/c1-12-10-20-18(25-12)22-15-6-7-19-16(21-15)9-13-3-2-8-23(11-13)17(24)14-4-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,19,20,21,22)
InChIKeyRMPXVKRMYPTQIY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.18
Rot. Bonds5

About cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone

cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 175658735) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID175658735
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Namecyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cnc(Nc2ccnc(CC3CCCN(C(=O)C4CC4)C3)n2)s1
InChIInChI=1S/C18H23N5OS/c1-12-10-20-18(25-12)22-15-6-7-19-16(21-15)9-13-3-2-8-23(11-13)17(24)14-4-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,19,20,21,22)
InChIKeyRMPXVKRMYPTQIY-UHFFFAOYSA-N
XLogP3.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 155985528
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
2-chloro-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 175655158
cyclopentyl-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155984921
tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843277
(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 155985554
(E)-4-(dimethylamino)-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]but-2-en-1-one
CID 132766074
(3-chloro-2-fluorophenyl)-[(3R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124941992
1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 155985320
cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 155985119
N-[6-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 110265111
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone (CID 175658735) is cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone is Cc1cnc(Nc2ccnc(CC3CCCN(C(=O)C4CC4)C3)n2)s1.
What is the InChIKey of cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is RMPXVKRMYPTQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-12-10-20-18(25-12)22-15-6-7-19-16(21-15)9-13-3-2-8-23(11-13)17(24)14-4-5-14/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,19,20,21,22).
What are the key properties of cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 357.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 175658735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).