N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine

C10H13N3S — CID 66407446

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESCc1ncc(CNCc2cc[nH]c2)s1
InChIInChI=1S/C10H13N3S/c1-8-13-7-10(14-8)6-12-5-9-2-3-11-4-9/h2-4,7,11-12H,5-6H2,1H3
InChIKeyYIWLGDNBSKVPRB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.07
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 66407446) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
PubChem CID66407446
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESCc1ncc(CNCc2cc[nH]c2)s1
InChIInChI=1S/C10H13N3S/c1-8-13-7-10(14-8)6-12-5-9-2-3-11-4-9/h2-4,7,11-12H,5-6H2,1H3
InChIKeyYIWLGDNBSKVPRB-UHFFFAOYSA-N
XLogP2.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine (CID 66407446) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine is Cc1ncc(CNCc2cc[nH]c2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is YIWLGDNBSKVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-13-7-10(14-8)6-12-5-9-2-3-11-4-9/h2-4,7,11-12H,5-6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 207.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 66407446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).