N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine

C10H11F2N3S — CID 167838238

IUPACN-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESFC(F)c1nc(CNCc2cc[nH]c2)cs1
InChIInChI=1S/C10H11F2N3S/c11-9(12)10-15-8(6-16-10)5-14-4-7-1-2-13-3-7/h1-3,6,9,13-14H,4-5H2
InChIKeyPDMMEYPCGIUKIF-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.70
Rot. Bonds5

About N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine

N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 167838238) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine
PubChem CID167838238
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESFC(F)c1nc(CNCc2cc[nH]c2)cs1
InChIInChI=1S/C10H11F2N3S/c11-9(12)10-15-8(6-16-10)5-14-4-7-1-2-13-3-7/h1-3,6,9,13-14H,4-5H2
InChIKeyPDMMEYPCGIUKIF-UHFFFAOYSA-N
XLogP2.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine (CID 167838238) is N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine is FC(F)c1nc(CNCc2cc[nH]c2)cs1.
What is the InChIKey of N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is PDMMEYPCGIUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-9(12)10-15-8(6-16-10)5-14-4-7-1-2-13-3-7/h1-3,6,9,13-14H,4-5H2.
What are the key properties of N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine?
N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)-1,3-thiazol-4-yl]methyl]-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 167838238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).