N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide

C14H17N5O4S — CID 110118833

IUPACN-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)COCCN(C(=O)c2ccn[nH]2)C1)c1cscn1
InChIInChI=1S/C14H17N5O4S/c20-12(11-5-24-9-16-11)15-6-14(22)7-19(3-4-23-8-14)13(21)10-1-2-17-18-10/h1-2,5,9,22H,3-4,6-8H2,(H,15,20)(H,17,18)
InChIKeyPOTIAJBJLMQQEM-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.50
Rot. Bonds4

About N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110118833) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID110118833
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)COCCN(C(=O)c2ccn[nH]2)C1)c1cscn1
InChIInChI=1S/C14H17N5O4S/c20-12(11-5-24-9-16-11)15-6-14(22)7-19(3-4-23-8-14)13(21)10-1-2-17-18-10/h1-2,5,9,22H,3-4,6-8H2,(H,15,20)(H,17,18)
InChIKeyPOTIAJBJLMQQEM-UHFFFAOYSA-N
XLogP-0.50
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(6R)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124954161
N-[[(6S)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 125018899
N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 110118809
N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124999454
N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124976970
N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 124952698
N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110123012
N-[[(6S)-6-hydroxy-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125004694
N-[[6-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 155983777
N-[[4-(2-amino-6-methylpyrimidine-4-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110122167
N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125006523
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938

Frequently Asked Questions

What is the IUPAC name of N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide (CID 110118833) is N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1(O)COCCN(C(=O)c2ccn[nH]2)C1)c1cscn1.
What is the InChIKey of N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is POTIAJBJLMQQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c20-12(11-5-24-9-16-11)15-6-14(22)7-19(3-4-23-8-14)13(21)10-1-2-17-18-10/h1-2,5,9,22H,3-4,6-8H2,(H,15,20)(H,17,18).
What are the key properties of N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 351.39 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110118833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).