N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide

C19H28N4OS — CID 5272480

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide
SMILESCCCC(CCC)NCCC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C19H28N4OS/c1-3-5-15(6-4-2)21-12-11-18(24)22-16-9-7-14(8-10-16)17-13-25-19(20)23-17/h7-10,13,15,21H,3-6,11-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyXZHXMCFUWMYIEP-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.28
Rot. Bonds10

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide (PubChem CID 5272480) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide
PubChem CID5272480
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide
SMILESCCCC(CCC)NCCC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C19H28N4OS/c1-3-5-15(6-4-2)21-12-11-18(24)22-16-9-7-14(8-10-16)17-13-25-19(20)23-17/h7-10,13,15,21H,3-6,11-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyXZHXMCFUWMYIEP-UHFFFAOYSA-N
XLogP4.28
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide (CID 5272480) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide is CCCC(CCC)NCCC(=O)Nc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide?
The InChIKey is XZHXMCFUWMYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-3-5-15(6-4-2)21-12-11-18(24)22-16-9-7-14(8-10-16)17-13-25-19(20)23-17/h7-10,13,15,21H,3-6,11-12H2,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide has a molecular weight of 360.53 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(heptan-4-ylamino)propanamide is sourced from PubChem (CID 5272480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).