N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine

C12H17N3S — CID 116968788

IUPACN,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCNC(C)(C)Cc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C12H17N3S/c1-12(2,13-3)6-11-15-10(8-16-11)9-4-5-14-7-9/h4-5,7-8,13-14H,6H2,1-3H3
InChIKeyDBGVZTWLESKFMI-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.68
Rot. Bonds4

About N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine

N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 116968788) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID116968788
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCNC(C)(C)Cc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C12H17N3S/c1-12(2,13-3)6-11-15-10(8-16-11)9-4-5-14-7-9/h4-5,7-8,13-14H,6H2,1-3H3
InChIKeyDBGVZTWLESKFMI-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180
4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676
4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967685
1-(4-cyclopentyl-1,3-thiazol-2-yl)-N,2-dimethylpropan-2-amine
CID 116968800
N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 15327677
3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116968802
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966914
2-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetic acid
CID 82292777
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
CID 116867993
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine (CID 116968788) is N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine is CNC(C)(C)Cc1nc(-c2cc[nH]c2)cs1.
What is the InChIKey of N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is DBGVZTWLESKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-12(2,13-3)6-11-15-10(8-16-11)9-4-5-14-7-9/h4-5,7-8,13-14H,6H2,1-3H3.
What are the key properties of N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine?
N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 116968788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).