4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine

C13H17N3S — CID 2475628

IUPAC4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESC=CCn1c(C)cc(-c2csc(NC)n2)c1C
InChIInChI=1S/C13H17N3S/c1-5-6-16-9(2)7-11(10(16)3)12-8-17-13(14-4)15-12/h5,7-8H,1,6H2,2-4H3,(H,14,15)
InChIKeyMGQQQJKEVSUSJX-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.46
Rot. Bonds4

About 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 2475628) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID2475628
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESC=CCn1c(C)cc(-c2csc(NC)n2)c1C
InChIInChI=1S/C13H17N3S/c1-5-6-16-9(2)7-11(10(16)3)12-8-17-13(14-4)15-12/h5,7-8H,1,6H2,2-4H3,(H,14,15)
InChIKeyMGQQQJKEVSUSJX-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 938493
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601
4-(2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride
CID 6602929
4-(3-Pyridinyl)-2-thiazolamine
CID 154893
N-methyl-4-phenylthiazol-2-amine
CID 824443
Thiourea, N-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-N'-2-thiazolyl-
CID 3001098
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
CID 746646
Phenethyl-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972709
4-(1,2,5-Trimethyl-1H-pyrrol-3-yl)thiazol-2-amine
CID 2566124

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 2475628) is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine is C=CCn1c(C)cc(-c2csc(NC)n2)c1C.
What is the InChIKey of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MGQQQJKEVSUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-5-6-16-9(2)7-11(10(16)3)12-8-17-13(14-4)15-12/h5,7-8H,1,6H2,2-4H3,(H,14,15).
What are the key properties of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2475628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).