N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine

C13H19ClN4S — CID 114658631

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncs1)c1c(Cl)cnn1CCC
InChIInChI=1S/C13H19ClN4S/c1-3-5-16-12(11-8-15-9-19-11)13-10(14)7-17-18(13)6-4-2/h7-9,12,16H,3-6H2,1-2H3
InChIKeyMRKCYNYWKLDESA-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.49
Rot. Bonds7

About N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine

N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 114658631) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID114658631
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncs1)c1c(Cl)cnn1CCC
InChIInChI=1S/C13H19ClN4S/c1-3-5-16-12(11-8-15-9-19-11)13-10(14)7-17-18(13)6-4-2/h7-9,12,16H,3-6H2,1-2H3
InChIKeyMRKCYNYWKLDESA-UHFFFAOYSA-N
XLogP3.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(1,3-thiazol-5-yl)methanamine
CID 114658603
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105042627
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193576
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
N-[(5-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 114652684
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 105190004
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethoxy-N-propylpropan-1-amine
CID 114652910

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine (CID 114658631) is N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cncs1)c1c(Cl)cnn1CCC.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is MRKCYNYWKLDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-3-5-16-12(11-8-15-9-19-11)13-10(14)7-17-18(13)6-4-2/h7-9,12,16H,3-6H2,1-2H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 298.84 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 114658631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).