N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine

C14H21N5S — CID 129008081

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESCc1ncsc1CN(Cc1ccn[nH]1)CC1CCNC1
InChIInChI=1S/C14H21N5S/c1-11-14(20-10-16-11)9-19(7-12-2-4-15-6-12)8-13-3-5-17-18-13/h3,5,10,12,15H,2,4,6-9H2,1H3,(H,17,18)
InChIKeyQFEPFWLBBSPMIB-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.79
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine (PubChem CID 129008081) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
PubChem CID129008081
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESCc1ncsc1CN(Cc1ccn[nH]1)CC1CCNC1
InChIInChI=1S/C14H21N5S/c1-11-14(20-10-16-11)9-19(7-12-2-4-15-6-12)8-13-3-5-17-18-13/h3,5,10,12,15H,2,4,6-9H2,1H3,(H,17,18)
InChIKeyQFEPFWLBBSPMIB-UHFFFAOYSA-N
XLogP1.79
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845039
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340135
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339515
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128970204
N-(1-benzofuran-3-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340176
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128995027
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129465620

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine (CID 129008081) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine is Cc1ncsc1CN(Cc1ccn[nH]1)CC1CCNC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The InChIKey is QFEPFWLBBSPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-11-14(20-10-16-11)9-19(7-12-2-4-15-6-12)8-13-3-5-17-18-13/h3,5,10,12,15H,2,4,6-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 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]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 129008081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).