(4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C13H21N3OS — CID 56908129

IUPAC(4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCC(N)CC2)cs1
InChIInChI=1S/C13H21N3OS/c1-9(2)12-15-11(8-18-12)13(17)16-6-3-4-10(14)5-7-16/h8-10H,3-7,14H2,1-2H3
InChIKeyJUQQWKQUTKTOEJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.22
Rot. Bonds2

About (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

(4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 56908129) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID56908129
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCC(N)CC2)cs1
InChIInChI=1S/C13H21N3OS/c1-9(2)12-15-11(8-18-12)13(17)16-6-3-4-10(14)5-7-16/h8-10H,3-7,14H2,1-2H3
InChIKeyJUQQWKQUTKTOEJ-UHFFFAOYSA-N
XLogP2.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Ethyl-1,3-thiazol-4-yl)methylamino]azepan-2-one
CID 47397760
2-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53531859
2-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56751947
N~1~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~1~-methyl-D-leucinamide
CID 56870438
4-(Cyclopropylmethyl)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3-isopropyl-1,4-diazepan-5-one
CID 56896181
N-{(3S*,4R*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinyl}acetamide
CID 70786097
(3R*,4S*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinamine
CID 86283718
2-(1-amino-2-methylpropyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137660414
N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 62046160
[(4S)-4-methylazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 96462663
N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 85879992
2-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1,3-thiazole-4-carboxamide
CID 52317008

Frequently Asked Questions

What is the IUPAC name of (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 56908129) is (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2CCCC(N)CC2)cs1.
What is the InChIKey of (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is JUQQWKQUTKTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)12-15-11(8-18-12)13(17)16-6-3-4-10(14)5-7-16/h8-10H,3-7,14H2,1-2H3.
What are the key properties of (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
(4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 267.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoazepan-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56908129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).