N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide

C14H23N3O2S — CID 56903340

IUPACN-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC2(O)CCCNCC2)cs1
InChIInChI=1S/C14H23N3O2S/c1-2-4-12-17-11(9-20-12)13(18)16-10-14(19)5-3-7-15-8-6-14/h9,15,19H,2-8,10H2,1H3,(H,16,18)
InChIKeyFAQGIECMPCTHAK-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.33
Rot. Bonds5

About N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 56903340) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID56903340
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC2(O)CCCNCC2)cs1
InChIInChI=1S/C14H23N3O2S/c1-2-4-12-17-11(9-20-12)13(18)16-10-14(19)5-3-7-15-8-6-14/h9,15,19H,2-8,10H2,1H3,(H,16,18)
InChIKeyFAQGIECMPCTHAK-UHFFFAOYSA-N
XLogP1.33
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 56903340) is N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCC2(O)CCCNCC2)cs1.
What is the InChIKey of N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is FAQGIECMPCTHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-4-12-17-11(9-20-12)13(18)16-10-14(19)5-3-7-15-8-6-14/h9,15,19H,2-8,10H2,1H3,(H,16,18).
What are the key properties of N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyazepan-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56903340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).