[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone

C15H26N4OS — CID 116673045

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C15H26N4OS/c1-4-11-8-6-5-7-9-19(11)14(20)12-13(16)18-15(21-12)17-10(2)3/h10-11H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyHPWBTHHPQOYKGX-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.34
Rot. Bonds4

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone (PubChem CID 116673045) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
PubChem CID116673045
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C15H26N4OS/c1-4-11-8-6-5-7-9-19(11)14(20)12-13(16)18-15(21-12)17-10(2)3/h10-11H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyHPWBTHHPQOYKGX-UHFFFAOYSA-N
XLogP3.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 116663088
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 116663232
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116667217
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 116672270
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylazepan-1-yl)methanone
CID 104689698
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone (CID 116673045) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone?
The InChIKey is HPWBTHHPQOYKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-11-8-6-5-7-9-19(11)14(20)12-13(16)18-15(21-12)17-10(2)3/h10-11H,4-9,16H2,1-3H3,(H,17,18).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone has a molecular weight of 310.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 116673045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).