4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one

C12H18N4OS — CID 103365815

IUPAC4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2snc(N)c2C2CC2)CC1=O
InChIInChI=1S/C12H18N4OS/c1-15-5-2-6-16(7-9(15)17)12-10(8-3-4-8)11(13)14-18-12/h8H,2-7H2,1H3,(H2,13,14)
InChIKeyAXXBAQXDOSQPLH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.27
Rot. Bonds2

About 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one

4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 103365815) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID103365815
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2snc(N)c2C2CC2)CC1=O
InChIInChI=1S/C12H18N4OS/c1-15-5-2-6-16(7-9(15)17)12-10(8-3-4-8)11(13)14-18-12/h8H,2-7H2,1H3,(H2,13,14)
InChIKeyAXXBAQXDOSQPLH-UHFFFAOYSA-N
XLogP1.27
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361511
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
4-cyclopropyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362101
5-(4-tert-butylpiperidin-1-yl)-4-cyclopropyl-1,2-thiazol-3-amine
CID 103360618
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103365979
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362747
[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103361589

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (CID 103365815) is 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2snc(N)c2C2CC2)CC1=O.
What is the InChIKey of 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is AXXBAQXDOSQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-15-5-2-6-16(7-9(15)17)12-10(8-3-4-8)11(13)14-18-12/h8H,2-7H2,1H3,(H2,13,14).
What are the key properties of 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 103365815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).