5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

C11H15N3S — CID 104599866

IUPAC5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C11H15N3S/c1-8(2)10-7-14-11(15-10)13-6-9-3-4-12-5-9/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)
InChIKeyAEBDRAFQJZWBNM-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.21
Rot. Bonds4

About 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 104599866) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID104599866
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C11H15N3S/c1-8(2)10-7-14-11(15-10)13-6-9-3-4-12-5-9/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)
InChIKeyAEBDRAFQJZWBNM-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481
5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrole-2-thiol
CID 90956579
2-(1H-Pyrrol-3-yl)-1,3-thiazole
CID 136249894
2-(4-methyl-1H-pyrrol-3-yl)-1,3-thiazole
CID 136445548
4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 141340071
3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
CID 142893857
4-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 64436715
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66407027
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66407446
1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66407448

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (CID 104599866) is 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is CC(C)c1cnc(NCc2cc[nH]c2)s1.
What is the InChIKey of 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is AEBDRAFQJZWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8(2)10-7-14-11(15-10)13-6-9-3-4-12-5-9/h3-5,7-8,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104599866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).