[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone

C14H23N5O3S2 — CID 77097002

IUPAC[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCNc1nc(C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C14H23N5O3S2/c1-15-14-16-12(11-23-14)13(20)17-5-4-8-19(10-9-17)24(21,22)18-6-2-3-7-18/h11H,2-10H2,1H3,(H,15,16)
InChIKeyFPUQSUXZZBEBMO-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.67
Rot. Bonds4

About [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone

[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 77097002) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID77097002
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC Name[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCNc1nc(C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C14H23N5O3S2/c1-15-14-16-12(11-23-14)13(20)17-5-4-8-19(10-9-17)24(21,22)18-6-2-3-7-18/h11H,2-10H2,1H3,(H,15,16)
InChIKeyFPUQSUXZZBEBMO-UHFFFAOYSA-N
XLogP0.67
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone 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

[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608
[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 70765937
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72941054
N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 153387397
3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876721
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405477
azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72873894

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone (CID 77097002) is [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone is CNc1nc(C(=O)N2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is FPUQSUXZZBEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c1-15-14-16-12(11-23-14)13(20)17-5-4-8-19(10-9-17)24(21,22)18-6-2-3-7-18/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 373.50 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 77097002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).