N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

C14H18N4OS — CID 91938268

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2csc(C3CC3)n2)cn1
InChIInChI=1S/C14H18N4OS/c1-18-8-10(6-16-18)2-5-13(19)15-7-12-9-20-14(17-12)11-3-4-11/h6,8-9,11H,2-5,7H2,1H3,(H,15,19)
InChIKeyXCNUXBHBSGIAEA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.00
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 91938268) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID91938268
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2csc(C3CC3)n2)cn1
InChIInChI=1S/C14H18N4OS/c1-18-8-10(6-16-18)2-5-13(19)15-7-12-9-20-14(17-12)11-3-4-11/h6,8-9,11H,2-5,7H2,1H3,(H,15,19)
InChIKeyXCNUXBHBSGIAEA-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 97178740
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547707
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125440794

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 91938268) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCc2csc(C3CC3)n2)cn1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is XCNUXBHBSGIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18-8-10(6-16-18)2-5-13(19)15-7-12-9-20-14(17-12)11-3-4-11/h6,8-9,11H,2-5,7H2,1H3,(H,15,19).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 91938268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).