3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile

C14H19ClN4OS — CID 133305203

IUPAC3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C14H19ClN4OS/c15-13-12(7-16)14(21-18-13)17-11-1-4-19(5-2-11)8-10-3-6-20-9-10/h10-11,17H,1-6,8-9H2
InChIKeyAOWAMIGRUCZNMB-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.58
Rot. Bonds4

About 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile (PubChem CID 133305203) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile
PubChem CID133305203
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C14H19ClN4OS/c15-13-12(7-16)14(21-18-13)17-11-1-4-19(5-2-11)8-10-3-6-20-9-10/h10-11,17H,1-6,8-9H2
InChIKeyAOWAMIGRUCZNMB-UHFFFAOYSA-N
XLogP2.58
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile (CID 133305203) is 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1NC1CCN(CC2CCOC2)CC1.
What is the InChIKey of 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is AOWAMIGRUCZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c15-13-12(7-16)14(21-18-13)17-11-1-4-19(5-2-11)8-10-3-6-20-9-10/h10-11,17H,1-6,8-9H2.
What are the key properties of 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 326.85 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133305203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).