N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine

C16H20F3N3S2 — CID 120845030

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine
SMILESCc1ncsc1CN(Cc1ccc(C(F)(F)F)s1)CC1CCNC1
InChIInChI=1S/C16H20F3N3S2/c1-11-14(23-10-21-11)9-22(7-12-4-5-20-6-12)8-13-2-3-15(24-13)16(17,18)19/h2-3,10,12,20H,4-9H2,1H3
InChIKeySXOFIHWKUGXXLK-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.14
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine (PubChem CID 120845030) has the molecular formula C16H20F3N3S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine
PubChem CID120845030
Molecular FormulaC16H20F3N3S2
Molecular Weight375.49 g/mol
Exact Mass375.11
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine
SMILESCc1ncsc1CN(Cc1ccc(C(F)(F)F)s1)CC1CCNC1
InChIInChI=1S/C16H20F3N3S2/c1-11-14(23-10-21-11)9-22(7-12-4-5-20-6-12)8-13-2-3-15(24-13)16(17,18)19/h2-3,10,12,20H,4-9H2,1H3
InChIKeySXOFIHWKUGXXLK-UHFFFAOYSA-N
XLogP4.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine (CID 120845030) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine is Cc1ncsc1CN(Cc1ccc(C(F)(F)F)s1)CC1CCNC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine?
The InChIKey is SXOFIHWKUGXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3S2/c1-11-14(23-10-21-11)9-22(7-12-4-5-20-6-12)8-13-2-3-15(24-13)16(17,18)19/h2-3,10,12,20H,4-9H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine has a molecular weight of 375.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-yl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]methanamine is sourced from PubChem (CID 120845030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).