N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine

C15H27N3S — CID 164638936

IUPACN,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CCCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C15H27N3S/c1-12(2)13-6-5-8-18(9-7-13)11-14-10-16-15(19-14)17(3)4/h10,12-13H,5-9,11H2,1-4H3/t13-/m0/s1
InChIKeyRGZANIGKZOORPD-ZDUSSCGKSA-N
MW281.47 g/mol
LogP3.47
Rot. Bonds4

About N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 164638936) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID164638936
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CCCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C15H27N3S/c1-12(2)13-6-5-8-18(9-7-13)11-14-10-16-15(19-14)17(3)4/h10,12-13H,5-9,11H2,1-4H3/t13-/m0/s1
InChIKeyRGZANIGKZOORPD-ZDUSSCGKSA-N
XLogP3.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine (CID 164638936) is N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine is CC(C)[C@H]1CCCN(Cc2cnc(N(C)C)s2)CC1.
What is the InChIKey of N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RGZANIGKZOORPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12(2)13-6-5-8-18(9-7-13)11-14-10-16-15(19-14)17(3)4/h10,12-13H,5-9,11H2,1-4H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(4S)-4-propan-2-ylazepan-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164638936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).