4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C19H25N5OS — CID 86624690

IUPAC4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nc([C@@H](N)CC(C)C)cs2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H25N5OS/c1-12(2)7-15(20)16-10-26-19(23-16)22-14-5-6-17(18(8-14)25-4)24-9-13(3)21-11-24/h5-6,8-12,15H,7,20H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyHUZPVMQDLCAKEJ-HNNXBMFYSA-N
MW371.51 g/mol
LogP4.44
Rot. Bonds7

About 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 86624690) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID86624690
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nc([C@@H](N)CC(C)C)cs2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H25N5OS/c1-12(2)7-15(20)16-10-26-19(23-16)22-14-5-6-17(18(8-14)25-4)24-9-13(3)21-11-24/h5-6,8-12,15H,7,20H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyHUZPVMQDLCAKEJ-HNNXBMFYSA-N
XLogP4.44
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1S)-1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3-thiazol-4-yl]-3-methylbutyl]benzamide
CID 140531616
2-[(1S)-1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3-thiazol-4-yl]-3-methylbutyl]benzenesulfonamide
CID 140531619
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
2-[(1S)-1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3-thiazol-4-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 140531618
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
ethyl 2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 25107424
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
5-N-(cyclopropylmethyl)-3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-methylpropyl)-1,2,4-triazole-3,5-diamine
CID 86344122
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 86624690) is 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is COc1cc(Nc2nc([C@@H](N)CC(C)C)cs2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HUZPVMQDLCAKEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-12(2)7-15(20)16-10-26-19(23-16)22-14-5-6-17(18(8-14)25-4)24-9-13(3)21-11-24/h5-6,8-12,15H,7,20H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 371.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-methylbutyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86624690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).